Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 6/20 | 0.40 |
| ▸ | CCR5 | P51681 | 6/20 | 0.40 |
| ▸ | CCR8 | P51685 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | CBFB | Q13951 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18256848 | 0.80 | KDM4E (0.33) | CCR1CCR5CCR8KDM4EGAA | |
| SCHEMBL12847495 | 0.80 | CCR1 (0.38) | CCR1CCR5CCR8L3MBTL1NOS3 | |
| SCHEMBL18779092 | 0.80 | ADRA2A (0.35) | CCR1CCR5CCR8KDM4EGAA | |
| SCHEMBL23332993 | 0.80 | NOS2 (0.41) | CCR1CCR5CCR8L3MBTL1NOS3 | |
| SCHEMBL18779067 | 0.77 | LMNA (0.32) | CCR1CCR5CCR8KDM4EGAA | |
| SCHEMBL3156717 | 0.75 | CCR1 (0.54) | CCR1CCR5CCR8L3MBTL1NOS3 | |
| SCHEMBL15925264 | 0.73 | HRH4 (0.50) | CYP1A2ALDH1A1 | |
| SCHEMBL15925256 | 0.72 | ALDH1A1 (0.43) | KDM4EGAACYP1A2RAB9AALDH1A1 | |
| SCHEMBL9909767 | 0.71 | ADORA1 (0.42) | L3MBTL1CYP1A2CYP2A6ALDH1A1LMNA | |
| SCHEMBL12847024 | 0.71 | CCR1 (0.40) | CCR1CCR5CCR8L3MBTL1NOS3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |
| EP-3148996-B1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-05-05 | — | — | EP | disclosed |